Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C35H44N2O7/c1-20(2)24-16-15-21(3)17-29(24)44-34(41)26-19-28(35(42)43-4)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(33(39)40)36-30(25)22-11-7-5-8-12-22/h5-14,20-21,24-31,36H,15-19H2,1-4H3,(H,39,40)/t21-,24+,25-,26+,27-,28+,29-,30-,31+/m1/s1
SMILES COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N[C@@H]1c1ccccc1)C(=O)O)c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key VGHHFKAXIWXEPL-JEEAEGICSA-N
Molecular Formula C35H44N2O7
Exact Mass 604.733 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VGHHFKAXIWXEPL-JEEAEGICSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VGHHFKAXIWXEPL-JEEAEGICSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (2R,4R,5S)-4-[(2R,3S,5S)-5-methoxycarbonyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyl-2-phenylpyrrolidine-1-carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453461 pubchem
    The data in this table is sourced from UniChem at EBI.